2-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C10H12N4O2 — CID 127863676

IUPAC2-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CC2CCOC2)nc2cnccn12
InChIInChI=1S/C10H12N4O2/c15-10-13-3-2-11-5-9(13)12-14(10)6-8-1-4-16-7-8/h2-3,5,8H,1,4,6-7H2
InChIKeyYFUGKPPJWQNIOG-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.07
Rot. Bonds2

About 2-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 127863676) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID127863676
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CC2CCOC2)nc2cnccn12
InChIInChI=1S/C10H12N4O2/c15-10-13-3-2-11-5-9(13)12-14(10)6-8-1-4-16-7-8/h2-3,5,8H,1,4,6-7H2
InChIKeyYFUGKPPJWQNIOG-UHFFFAOYSA-N
XLogP-0.07
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 129481188
2-(2-aminoethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273453
3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanamide
CID 66272194
2-[2-(2-oxocyclopentyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 79570475
5-cyclopropyl-4-methyl-2-[[(3R)-oxolan-3-yl]methyl]-1,2,4-triazol-3-one
CID 164642257
2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115746883
2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 103934851
2-[3-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66274308
1-(oxan-4-ylmethyl)pyrazin-2-one
CID 130538359
2-[2-[2-(methylamino)cyclopentyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 79573346
2-[2-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272397
5-[(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)methyl]thiophene-2-carboxylic acid
CID 66274091

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 127863676) is 2-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(CC2CCOC2)nc2cnccn12.
What is the InChIKey of 2-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is YFUGKPPJWQNIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c15-10-13-3-2-11-5-9(13)12-14(10)6-8-1-4-16-7-8/h2-3,5,8H,1,4,6-7H2.
What are the key properties of 2-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 220.23 g/mol, XLogP of -0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 127863676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).